SCHEMBL2201553

SCHEMBL2201553

CCOC(=O)CCC1CCCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
TSHR P16473 1/20 0.45
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
FKBP1A P62942 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.39
BDKRB1 P46663 2/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2752693 0.91 HCRTR1 (0.53) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL702335 0.87 HCRTR1 (0.53) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL13692072 0.85 PSEN1 (0.59) HCRTR1HCRTR2TSHRPSEN1PSEN2
SCHEMBL4119314 0.84 HCRTR1 (0.53) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL13587272 0.83 PSEN1 (0.51) HCRTR1HCRTR2TSHRPSEN1PSEN2
SCHEMBL639234 0.81 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13587103 0.81 HCRTR1 (0.49) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL4119365 0.80 HCRTR1 (0.48) HCRTR1HCRTR2PSEN1PSEN2APH1B
SCHEMBL13695347 0.78 MAPT (0.41) HCRTR1HCRTR2MAPTTHRBMEN1
SCHEMBL5128978 0.78 HCRTR1 (0.50) HCRTR1HCRTR2PSEN1PSEN2APH1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
EP-2260043-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-15 EP disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 WO disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 WO disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN HCRTR1 423/4885HCRTR2 737/4885TSHR 477/4885
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 HCRTR1 742/4885HCRTR2 733/4885TSHR 1805/4885
US-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 HCRTR1 750/4885HCRTR2 800/4885TSHR 1575/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.